4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

C24H24FN7O2 — CID 90435702

IUPAC4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31)
InChIKeyUXVMYCTXGNDCLP-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.15
Rot. Bonds9

About 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 90435702) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID90435702
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31)
InChIKeyUXVMYCTXGNDCLP-UHFFFAOYSA-N
XLogP3.15
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 90435702) is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is UXVMYCTXGNDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 461.50 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 90435702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).